2-(aminomethyl)-3-trimethoxysilylpropan-1-ol

C7H19NO4Si — CID 154196411

IUPAC2-(aminomethyl)-3-trimethoxysilylpropan-1-ol
SMILESCO[Si](CC(CN)CO)(OC)OC
InChIInChI=1S/C7H19NO4Si/c1-10-13(11-2,12-3)6-7(4-8)5-9/h7,9H,4-6,8H2,1-3H3
InChIKeyBMVJLODMRABQES-UHFFFAOYSA-N
MW209.32 g/mol
LogP-0.57
Rot. Bonds7

About 2-(aminomethyl)-3-trimethoxysilylpropan-1-ol

2-(aminomethyl)-3-trimethoxysilylpropan-1-ol (PubChem CID 154196411) has the molecular formula C7H19NO4Si and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-(aminomethyl)-3-trimethoxysilylpropan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-trimethoxysilylpropan-1-ol
PubChem CID154196411
Molecular FormulaC7H19NO4Si
Molecular Weight209.32 g/mol
Exact Mass209.11
IUPAC Name2-(aminomethyl)-3-trimethoxysilylpropan-1-ol
SMILESCO[Si](CC(CN)CO)(OC)OC
InChIInChI=1S/C7H19NO4Si/c1-10-13(11-2,12-3)6-7(4-8)5-9/h7,9H,4-6,8H2,1-3H3
InChIKeyBMVJLODMRABQES-UHFFFAOYSA-N
XLogP-0.57
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-trimethoxysilylpropan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-trimethoxysilylpropan-1-ol (CID 154196411) is 2-(aminomethyl)-3-trimethoxysilylpropan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-trimethoxysilylpropan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-trimethoxysilylpropan-1-ol is CO[Si](CC(CN)CO)(OC)OC.
What is the InChIKey of 2-(aminomethyl)-3-trimethoxysilylpropan-1-ol?
The InChIKey is BMVJLODMRABQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NO4Si/c1-10-13(11-2,12-3)6-7(4-8)5-9/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-trimethoxysilylpropan-1-ol?
2-(aminomethyl)-3-trimethoxysilylpropan-1-ol has a molecular weight of 209.32 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-trimethoxysilylpropan-1-ol is sourced from PubChem (CID 154196411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).